#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rqm n THR 2 N 0.00 2.32 -4.10 0.00 -2.24 -1.20 -4.86 114.28 104.19 1rqm n THR 2 Ca 0.00 -0.50 -0.08 0.00 -2.27 0.00 0.00 64.05 61.20 1rqm n THR 2 Cb 0.00 -0.97 -0.10 0.00 -2.10 0.00 0.00 70.33 67.16 1rqm n THR 2 CO 0.00 0.00 0.00 -0.32 -0.57 0.00 0.00 175.07 174.18 1rqm s MET 3 N -1.91 0.64 0.39 -0.78 -2.45 -1.24 -5.04 119.30 108.91 1rqm s MET 3 Ca 0.64 -1.23 -0.24 0.00 -1.25 0.00 0.00 55.69 53.60 1rqm s MET 3 Cb -0.57 0.14 -0.09 0.00 1.25 0.00 0.00 34.83 35.56 1rqm s MET 3 CO 0.57 -0.09 1.03 0.99 1.05 0.00 0.00 175.02 178.56 1rqm s THR 4 N -3.86 3.81 0.44 10.11 2.01 -1.26 -4.42 115.64 122.47 1rqm s THR 4 Ca 0.08 1.38 0.05 0.00 0.31 0.00 0.00 61.69 63.51 1rqm s THR 4 Cb 0.07 -3.71 -0.05 0.00 0.01 0.00 0.00 72.50 68.82 1rqm s THR 4 CO -0.09 0.00 0.01 -0.76 -0.69 0.00 0.00 174.62 173.09 1rqm s LEU 5 N -2.62 2.62 0.00 4.42 1.43 -1.25 -5.01 118.68 118.27 1rqm s LEU 5 Ca 0.57 -1.48 0.00 0.00 -1.03 0.00 0.00 54.13 52.20 1rqm s LEU 5 Cb -0.21 -0.79 0.00 0.00 0.03 0.00 0.00 46.19 45.22 1rqm s LEU 5 CO 0.26 -0.61 0.00 0.41 0.23 0.00 0.00 176.35 176.64 1rqm n THR 6 N -1.05 0.00 -0.02 5.49 -1.04 -1.26 -4.79 114.28 111.61 1rqm n THR 6 Ca -0.10 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 61.91 1rqm n THR 6 Cb 0.67 0.00 -0.00 0.00 -1.82 0.00 0.00 70.33 69.18 1rqm n THR 6 CO 0.00 0.00 0.00 -2.24 -0.64 0.00 0.00 175.07 172.19 1rqm h ASP 7 N 0.00 0.00 -0.56 8.00 2.03 -1.96 -3.21 116.42 120.72 1rqm h ASP 7 Ca 0.00 0.00 -0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1rqm h ASP 7 Cb 0.00 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 38.47 1rqm h ASP 7 CO 0.00 0.17 0.34 0.00 -1.03 0.00 0.00 179.24 178.72 1rqm h ALA 8 N -1.74 1.53 -0.07 4.15 0.00 -1.99 -0.97 119.26 120.17 1rqm h ALA 8 Ca 0.00 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 1rqm h ALA 8 Cb 0.09 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1rqm h ALA 8 CO 0.00 0.41 -0.32 -0.91 0.00 0.00 0.00 179.25 178.43 1rqm h ASN 9 N 0.78 0.14 0.64 0.00 4.21 -1.95 -1.66 115.58 117.75 1rqm h ASN 9 Ca 0.21 -0.05 -0.03 0.00 1.21 0.00 0.00 56.30 57.64 1rqm h ASN 9 Cb -0.03 -0.04 -0.00 0.00 -1.12 0.00 0.00 38.32 37.13 1rqm h ASN 9 CO -0.04 0.46 -0.36 0.15 -1.29 0.00 0.00 177.43 176.34 1rqm h PHE 10 N 0.13 -0.95 -0.36 1.19 3.57 -1.17 0.87 116.94 120.21 1rqm h PHE 10 Ca 0.02 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.51 1rqm h PHE 10 Cb 0.63 0.33 -0.02 0.00 2.79 0.00 0.00 35.95 39.68 1rqm h PHE 10 CO 0.01 -0.56 0.23 1.96 -2.23 0.00 0.00 178.31 177.71 1rqm h GLN 11 N -0.94 0.46 0.00 1.11 1.08 -1.57 -0.20 115.11 115.06 1rqm h GLN 11 Ca -0.08 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.09 1rqm h GLN 11 Cb 0.75 -0.10 0.00 0.00 -0.05 0.00 0.00 27.48 28.07 1rqm h GLN 11 CO 0.10 0.30 0.00 0.37 -0.95 0.00 0.00 178.83 178.66 1rqm h GLN 12 N 0.47 0.00 0.00 1.46 4.15 -1.03 0.43 115.11 120.59 1rqm h GLN 12 Ca 0.14 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.55 1rqm h GLN 12 Cb -0.04 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.65 1rqm h GLN 12 CO -0.04 0.00 -0.21 0.00 -1.93 0.00 0.00 178.83 176.65 1rqm h ALA 13 N 2.05 0.01 0.00 3.38 0.00 -0.24 -3.41 119.26 121.04 1rqm h ALA 13 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1rqm h ALA 13 Cb 0.14 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1rqm h ALA 13 CO 0.00 0.19 0.00 -0.84 0.00 0.00 0.00 179.25 178.60 1rqm h ILE 14 N -1.00 0.00 -1.05 0.00 3.07 -0.46 -3.25 117.51 114.82 1rqm h ILE 14 Ca -0.01 -0.34 0.28 0.00 1.55 0.00 0.00 64.86 66.34 1rqm h ILE 14 Cb 0.25 1.26 -0.08 0.00 -0.27 0.00 0.00 36.82 37.99 1rqm h ILE 14 CO -0.01 0.00 0.70 0.06 -1.05 0.00 0.00 178.15 177.86 1rqm h GLN 15 N 0.00 0.27 0.00 0.16 3.07 -1.16 -2.40 115.11 115.05 1rqm h GLN 15 Ca 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 58.65 58.72 1rqm h GLN 15 Cb 0.36 -0.06 0.00 0.00 0.08 0.00 0.00 27.48 27.86 1rqm h GLN 15 CO 0.00 0.18 0.00 0.41 0.09 0.00 0.00 178.83 179.51 1rqm n GLY 16 N -1.56 4.35 0.00 0.06 0.00 -1.23 -2.58 105.19 104.23 1rqm n GLY 16 Ca 0.25 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.74 1rqm n GLY 16 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1rqm n ASP 17 N 0.00 0.00 0.00 1.61 2.03 -1.26 -4.83 116.55 114.10 1rqm n ASP 17 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1rqm n ASP 17 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1rqm n ASP 17 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1rqm n GLY 18 N 0.00 4.91 3.56 0.27 0.00 -1.26 -4.52 105.19 108.15 1rqm n GLY 18 Ca 0.00 -0.69 -0.26 0.00 0.00 0.00 0.00 46.02 45.07 1rqm n GLY 18 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1rqm s PRO 19 N 4.05 2.17 0.19 1.61 0.04 -1.26 -4.07 135.00 137.73 1rqm s PRO 19 Ca 0.00 0.41 -0.24 0.00 0.04 0.00 0.00 61.00 61.21 1rqm s PRO 19 Cb 0.00 -4.77 -0.08 0.00 0.04 0.00 0.00 34.50 29.69 1rqm s PRO 19 CO 0.00 -3.61 0.77 0.08 0.04 0.00 0.00 177.00 174.28 1rqm s VAL 20 N 11.86 4.40 0.08 -0.36 1.01 0.31 -0.41 120.40 137.29 1rqm s VAL 20 Ca 0.82 1.63 0.01 0.00 0.00 0.00 0.00 61.98 64.43 1rqm s VAL 20 Cb -0.12 -4.07 -0.04 0.00 0.00 0.00 0.00 36.38 32.15 1rqm s VAL 20 CO 0.10 0.44 -0.05 -0.76 0.00 0.00 0.00 175.10 174.83 1rqm s LEU 21 N -1.37 2.48 -0.03 3.92 1.43 -0.48 -0.59 118.68 124.04 1rqm s LEU 21 Ca 0.38 -0.96 -0.04 0.00 -1.03 0.00 0.00 54.13 52.48 1rqm s LEU 21 Cb -0.22 0.02 0.01 0.00 0.03 0.00 0.00 46.19 46.03 1rqm s LEU 21 CO 0.25 -0.49 0.11 -0.69 0.23 0.00 0.00 176.35 175.76 1rqm s VAL 22 N -3.50 0.01 -0.42 -1.59 1.01 -1.11 -1.45 120.40 113.35 1rqm s VAL 22 Ca 0.08 -0.10 -0.18 0.00 0.00 0.00 0.00 61.98 61.78 1rqm s VAL 22 Cb 0.05 -0.19 0.02 0.00 0.00 0.00 0.00 36.38 36.26 1rqm s VAL 22 CO -0.06 -0.06 0.46 -0.62 0.00 0.00 0.00 175.10 174.83 1rqm s ASP 23 N -0.14 6.21 -0.44 3.32 2.15 0.96 -3.58 116.67 125.15 1rqm s ASP 23 Ca -0.02 -0.60 -0.19 0.00 0.43 0.00 0.00 52.55 52.17 1rqm s ASP 23 Cb -0.02 -2.24 0.03 0.00 -0.30 0.00 0.00 42.92 40.39 1rqm s ASP 23 CO 0.00 -0.59 0.57 -0.36 -0.17 0.00 0.00 175.17 174.62 1rqm s PHE 24 N 2.22 3.10 0.26 -5.34 0.08 0.34 -1.24 117.98 117.39 1rqm s PHE 24 Ca 0.14 -0.20 0.04 0.00 0.12 0.00 0.00 56.93 57.02 1rqm s PHE 24 Cb -0.17 -3.20 -0.01 0.00 -0.57 0.00 0.00 43.02 39.07 1rqm s PHE 24 CO 0.14 -0.82 0.13 -2.67 -0.10 0.00 0.00 175.22 171.90 1rqm n TRP 25 N 6.03 -0.15 -3.78 0.36 4.27 -1.13 -1.06 117.44 121.97 1rqm n TRP 25 Ca -0.04 -1.83 -0.09 0.00 -3.89 0.00 0.00 57.50 51.65 1rqm n TRP 25 Cb 0.47 0.07 -0.03 0.00 -1.36 0.00 0.00 31.31 30.46 1rqm n TRP 25 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1rqm s ALA 26 N -2.82 -0.95 0.50 -1.67 0.00 -1.26 -0.69 121.76 114.88 1rqm s ALA 26 Ca 0.19 -0.29 0.18 0.00 0.00 0.00 0.00 51.96 52.04 1rqm s ALA 26 Cb 0.01 0.88 1.26 0.00 0.00 0.00 0.00 23.12 25.28 1rqm s ALA 26 CO 0.13 -0.86 2.11 0.00 0.00 0.00 0.00 175.76 177.14 1rqm h ALA 27 N 2.15 1.80 0.03 0.00 0.00 -2.01 -3.22 119.26 118.00 1rqm h ALA 27 Ca -0.26 -0.06 -0.30 0.00 0.00 0.00 0.00 54.91 54.28 1rqm h ALA 27 Cb 1.26 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.00 1rqm h ALA 27 CO 0.34 0.09 -1.69 0.11 0.00 0.00 0.00 179.25 178.09 1rqm h TRP 28 N 0.00 0.10 -2.27 0.00 0.09 -2.03 -3.47 115.95 108.38 1rqm h TRP 28 Ca -0.00 -0.07 -0.52 0.00 0.09 0.00 0.00 58.89 58.38 1rqm h TRP 28 Cb 0.13 -0.00 -0.04 0.00 0.08 0.00 0.00 29.16 29.32 1rqm h TRP 28 CO 0.00 1.14 1.27 0.00 0.09 0.00 0.00 178.44 180.95 1rqm n GLY 30 N 5.55 -1.88 0.21 0.00 0.00 -1.26 -0.93 105.19 106.89 1rqm n GLY 30 Ca 0.18 0.80 -0.02 0.00 0.00 0.00 0.00 46.02 46.98 1rqm n GLY 30 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1rqm h PRO 31 N 0.00 0.29 -0.29 1.61 0.13 -1.91 -2.92 132.00 128.92 1rqm h PRO 31 Ca 0.10 -0.12 -0.11 0.00 -0.87 0.00 0.00 66.00 65.01 1rqm h PRO 31 Cb 0.26 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.36 1rqm h PRO 31 CO -0.60 0.59 -0.26 0.00 -0.23 0.00 0.00 178.00 177.50 1rqm h ARG 33 N 0.50 0.00 0.00 0.00 2.43 -0.88 0.20 114.38 116.64 1rqm h ARG 33 Ca 0.07 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1rqm h ARG 33 Cb 0.72 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.27 1rqm h ARG 33 CO 0.06 0.00 -1.21 -1.33 -1.51 0.00 0.00 179.97 175.97 1rqm n MET 34 N -2.44 1.05 -0.05 0.20 2.81 -0.64 -4.42 117.12 113.64 1rqm n MET 34 Ca -0.01 -0.07 -0.20 0.00 -1.81 0.00 0.00 57.70 55.61 1rqm n MET 34 Cb 0.09 -1.34 -0.13 0.00 -0.71 0.00 0.00 33.22 31.13 1rqm n MET 34 CO 0.00 0.00 0.00 -0.12 1.51 0.00 0.00 175.97 177.36 1rqm n MET 35 N -1.69 0.71 -0.12 0.03 0.00 -0.64 -3.87 117.12 111.54 1rqm n MET 35 Ca 0.01 0.23 -0.05 0.00 -0.00 0.00 0.00 57.70 57.89 1rqm n MET 35 Cb 0.34 -1.64 0.02 0.00 0.00 0.00 0.00 33.22 31.95 1rqm n MET 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1rqm h ALA 36 N -0.01 0.32 -0.26 -5.12 0.00 -0.88 0.34 119.26 113.66 1rqm h ALA 36 Ca -0.49 0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.50 1rqm h ALA 36 Cb 1.95 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 19.97 1rqm h ALA 36 CO -0.00 -0.43 -0.10 -1.00 0.00 0.00 0.00 179.25 177.73 1rqm h PRO 37 N 0.05 0.41 -0.59 0.00 0.13 -1.77 -0.04 132.00 130.20 1rqm h PRO 37 Ca 0.19 -0.10 -0.04 0.00 -0.87 0.00 0.00 66.00 65.18 1rqm h PRO 37 Cb 0.29 -0.05 -0.03 0.00 0.13 0.00 0.00 31.00 31.34 1rqm h PRO 37 CO -0.37 0.52 0.19 0.28 -0.23 0.00 0.00 178.00 178.39 1rqm h VAL 38 N 0.39 1.24 0.00 1.56 2.07 -1.31 -2.63 116.25 117.56 1rqm h VAL 38 Ca 0.08 -0.80 -0.04 0.00 0.82 0.00 0.00 66.70 66.76 1rqm h VAL 38 Cb 0.41 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 1rqm h VAL 38 CO 0.02 0.30 -0.19 -0.07 0.02 0.00 0.00 177.57 177.65 1rqm h LEU 39 N 0.83 0.00 -0.08 2.57 4.07 0.21 -1.46 115.31 121.45 1rqm h LEU 39 Ca 0.19 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 58.13 1rqm h LEU 39 Cb 0.27 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.01 1rqm h LEU 39 CO -0.01 0.19 -0.05 -0.08 -1.08 0.00 0.00 178.44 177.42 1rqm h GLU 40 N 0.00 0.17 -0.39 1.13 4.57 -0.66 0.25 114.58 119.65 1rqm h GLU 40 Ca -0.00 -0.08 -0.02 0.00 -1.18 0.00 0.00 59.36 58.08 1rqm h GLU 40 Cb 0.57 -0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.14 1rqm h GLU 40 CO 0.03 0.56 0.17 1.49 -1.18 0.00 0.00 179.01 180.08 1rqm h GLU 41 N -0.22 0.58 -0.38 1.92 4.81 -1.41 -1.14 114.58 118.74 1rqm h GLU 41 Ca 0.02 -0.10 0.06 0.00 -0.13 0.00 0.00 59.36 59.21 1rqm h GLU 41 Cb 0.52 -0.10 -0.05 0.00 0.63 0.00 0.00 28.75 29.75 1rqm h GLU 41 CO 0.01 0.53 0.07 0.35 -0.73 0.00 0.00 179.01 179.25 1rqm h PHE 42 N 0.49 0.11 0.22 0.92 3.57 -1.21 -0.51 116.94 120.54 1rqm h PHE 42 Ca 0.13 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.67 1rqm h PHE 42 Cb 0.16 0.01 -0.03 0.00 2.79 0.00 0.00 35.95 38.88 1rqm h PHE 42 CO -0.01 0.00 -0.28 0.00 -2.23 0.00 0.00 178.31 175.80 1rqm h ALA 43 N 1.29 -0.55 -0.57 2.41 0.00 -0.21 -2.73 119.26 118.91 1rqm h ALA 43 Ca 0.18 -0.07 0.10 0.00 0.00 0.00 0.00 54.91 55.12 1rqm h ALA 43 Cb 0.22 0.43 -0.08 0.00 0.00 0.00 0.00 17.79 18.36 1rqm h ALA 43 CO -0.25 -0.85 0.14 1.49 0.00 0.00 0.00 179.25 179.79 1rqm h GLU 44 N -0.56 0.28 0.00 0.00 4.81 -0.94 -0.46 114.58 117.72 1rqm h GLU 44 Ca 0.01 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1rqm h GLU 44 Cb 0.54 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.85 1rqm h GLU 44 CO -0.10 0.18 0.10 0.00 -0.73 0.00 0.00 179.01 178.47 1rqm h ALA 45 N 1.44 1.08 -0.46 2.92 0.00 -0.78 -2.83 119.26 120.63 1rqm h ALA 45 Ca 0.29 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.92 1rqm h ALA 45 Cb 0.41 0.00 -0.27 0.00 0.00 0.00 0.00 17.79 17.92 1rqm h ALA 45 CO -0.36 -0.08 -0.76 -2.39 0.00 0.00 0.00 179.25 175.66 1rqm n HIS 46 N -2.46 -0.66 0.29 0.00 1.44 -0.64 -4.99 115.22 108.19 1rqm n HIS 46 Ca -0.02 -2.30 0.14 0.00 -2.01 0.00 0.00 57.72 53.53 1rqm n HIS 46 Cb 0.14 0.63 0.87 0.00 0.12 0.00 0.00 29.99 31.75 1rqm n HIS 46 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1rqm h ALA 47 N 2.41 1.53 0.00 1.59 0.00 -0.86 -3.15 119.26 120.79 1rqm h ALA 47 Ca -0.20 -0.02 -0.25 0.00 0.00 0.00 0.00 54.91 54.44 1rqm h ALA 47 Cb 1.25 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.00 1rqm h ALA 47 CO 0.19 0.03 -1.70 -3.47 0.00 0.00 0.00 179.25 174.29 1rqm n ASP 48 N -3.88 1.93 -0.03 0.00 2.03 -1.26 -3.24 116.55 112.09 1rqm n ASP 48 Ca -0.03 0.38 0.22 0.00 0.52 0.00 0.00 54.79 55.88 1rqm n ASP 48 Cb 0.11 -0.82 0.70 0.00 -0.72 0.00 0.00 41.12 40.39 1rqm n ASP 48 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 1rqm h LYS 49 N -1.00 0.00 -4.59 -0.67 3.64 -1.95 -3.40 116.57 108.59 1rqm h LYS 49 Ca -0.37 0.00 -0.36 0.00 -1.27 0.00 0.00 60.65 58.65 1rqm h LYS 49 Cb 1.28 0.00 -0.27 0.00 -0.41 0.00 0.00 32.23 32.82 1rqm h LYS 49 CO -0.22 0.00 -0.77 0.14 -2.27 0.00 0.00 179.45 176.33 1rqm s VAL 50 N -4.98 0.61 -1.21 2.00 -7.23 -1.19 -4.77 120.40 103.63 1rqm s VAL 50 Ca -0.05 -0.45 -0.09 0.00 -1.81 0.00 0.00 61.98 59.58 1rqm s VAL 50 Cb 0.20 -0.53 0.21 0.00 0.56 0.00 0.00 36.38 36.81 1rqm s VAL 50 CO 0.73 0.09 1.62 1.07 -0.31 0.00 0.00 175.10 178.30 1rqm n THR 51 N 2.66 4.54 -1.54 5.32 5.66 0.46 -4.54 114.28 126.84 1rqm n THR 51 Ca -0.15 -4.88 -0.30 0.00 -3.05 0.00 0.00 64.05 55.68 1rqm n THR 51 Cb 0.57 -2.35 0.09 0.00 -1.55 0.00 0.00 70.33 67.09 1rqm n THR 51 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1rqm s VAL 52 N -0.12 3.15 0.39 1.08 0.11 -1.26 -1.38 120.40 122.37 1rqm s VAL 52 Ca 0.38 0.37 -0.10 0.00 -2.93 0.00 0.00 61.98 59.70 1rqm s VAL 52 Cb 0.04 -3.11 0.04 0.00 -1.53 0.00 0.00 36.38 31.82 1rqm s VAL 52 CO 0.02 -0.49 0.69 0.00 -3.33 0.00 0.00 175.10 171.98 1rqm s ALA 53 N -3.14 -0.11 -0.01 1.54 0.00 -0.53 -3.69 121.76 115.81 1rqm s ALA 53 Ca 0.61 -1.09 0.00 0.00 0.00 0.00 0.00 51.96 51.48 1rqm s ALA 53 Cb -0.14 0.84 0.02 0.00 0.00 0.00 0.00 23.12 23.83 1rqm s ALA 53 CO 0.54 -0.91 0.01 0.21 0.00 0.00 0.00 175.76 175.61 1rqm s LYS 54 N -2.39 0.03 0.12 0.00 2.20 -1.26 -0.03 119.74 118.40 1rqm s LYS 54 Ca 0.21 0.09 -0.15 0.00 -0.36 0.00 0.00 55.97 55.76 1rqm s LYS 54 Cb -0.03 -0.18 0.03 0.00 -1.51 0.00 0.00 37.83 36.14 1rqm s LYS 54 CO 0.16 -0.09 0.37 -0.48 -0.36 0.00 0.00 175.35 174.95 1rqm s LEU 55 N 0.59 0.57 -0.16 5.43 2.34 -0.38 -3.83 118.68 123.24 1rqm s LEU 55 Ca -0.05 -0.36 -0.27 0.00 0.06 0.00 0.00 54.13 53.51 1rqm s LEU 55 Cb -0.07 1.70 -0.01 0.00 -0.56 0.00 0.00 46.19 47.25 1rqm s LEU 55 CO -0.02 -0.82 0.92 0.21 -1.06 0.00 0.00 176.35 175.58 1rqm s ASN 56 N -2.78 7.06 0.48 1.48 2.47 -1.26 -2.84 114.94 119.55 1rqm s ASN 56 Ca 0.03 1.31 0.16 0.00 0.42 0.00 0.00 52.86 54.78 1rqm s ASN 56 Cb 0.02 -2.50 1.14 0.00 -1.45 0.00 0.00 41.25 38.47 1rqm s ASN 56 CO -0.12 -0.46 2.06 1.62 -3.72 0.00 0.00 177.10 176.48 1rqm h VAL 57 N 5.22 1.04 -0.17 -5.21 3.04 -1.22 -2.10 116.25 116.85 1rqm h VAL 57 Ca -0.28 -0.39 -0.17 0.00 -1.01 0.00 0.00 66.70 64.86 1rqm h VAL 57 Cb 1.12 1.21 -0.00 0.00 -2.01 0.00 0.00 31.29 31.61 1rqm h VAL 57 CO 0.87 0.11 -0.58 -0.78 -1.01 0.00 0.00 177.57 176.18 1rqm h ASP 58 N 0.00 0.63 0.05 3.17 3.58 -1.93 -3.22 116.42 118.70 1rqm h ASP 58 Ca -0.00 -0.35 -0.13 0.00 0.42 0.00 0.00 57.03 56.97 1rqm h ASP 58 Cb 0.20 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.06 1rqm h ASP 58 CO 0.01 1.07 -0.42 -0.08 -2.88 0.00 0.00 179.24 176.94 1rqm h GLU 59 N 0.42 0.46 -3.44 0.28 4.81 -1.79 -3.35 114.58 111.98 1rqm h GLU 59 Ca 0.00 -0.24 -0.70 0.00 -0.13 0.00 0.00 59.36 58.29 1rqm h GLU 59 Cb 1.14 0.00 -0.35 0.00 0.63 0.00 0.00 28.75 30.17 1rqm h GLU 59 CO 0.11 0.80 -0.21 1.21 -0.73 0.00 0.00 179.01 180.19 1rqm s ASN 60 N -6.86 5.67 0.35 1.04 3.04 -0.94 -4.49 114.94 112.74 1rqm s ASN 60 Ca -0.06 -3.31 0.19 0.00 0.04 0.00 0.00 52.86 49.71 1rqm s ASN 60 Cb 0.13 -1.89 0.36 0.00 -1.54 0.00 0.00 41.25 38.30 1rqm s ASN 60 CO 0.81 -0.28 1.58 1.55 -3.04 0.00 0.00 177.10 177.72 1rqm h PRO 61 N 6.51 0.00 -6.25 0.43 0.13 -1.71 -3.40 132.00 127.72 1rqm h PRO 61 Ca 0.08 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.65 1rqm h PRO 61 Cb 0.88 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.99 1rqm h PRO 61 CO 0.78 0.36 1.06 -1.21 -0.23 0.00 0.00 178.00 178.76 1rqm s GLU 62 N -3.21 4.02 0.00 0.86 2.02 -1.26 -1.22 118.70 119.90 1rqm s GLU 62 Ca 0.03 1.83 0.00 0.00 0.02 0.00 0.00 54.97 56.85 1rqm s GLU 62 Cb 0.08 -3.96 0.00 0.00 0.10 0.00 0.00 34.13 30.35 1rqm s GLU 62 CO 0.70 -1.02 0.00 2.41 0.02 0.00 0.00 175.26 177.37 1rqm n THR 63 N 5.88 0.00 0.15 3.63 -1.04 -1.26 -4.81 114.28 116.83 1rqm n THR 63 Ca 0.17 0.00 -0.16 0.00 -2.04 0.00 0.00 64.05 62.02 1rqm n THR 63 Cb 0.44 0.00 -0.09 0.00 -1.82 0.00 0.00 70.33 68.86 1rqm n THR 63 CO 0.00 0.00 0.00 0.74 -0.64 0.00 0.00 175.07 175.17 1rqm h THR 64 N 0.00 0.00 -0.62 12.58 2.02 -1.73 -1.03 112.91 124.13 1rqm h THR 64 Ca 0.00 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.22 1rqm h THR 64 Cb 0.00 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 66.37 1rqm h THR 64 CO 0.00 0.00 0.37 -1.28 0.37 0.00 0.00 175.52 174.98 1rqm h SER 65 N -0.79 0.58 0.01 4.18 0.87 -1.46 0.14 113.55 117.07 1rqm h SER 65 Ca -0.02 0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.55 1rqm h SER 65 Cb 0.76 -0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 62.61 1rqm h SER 65 CO -0.22 0.39 -0.01 -0.61 -0.53 0.00 0.00 176.83 175.86 1rqm h GLN 66 N 0.71 0.00 -0.32 2.24 4.15 -1.67 -1.54 115.11 118.67 1rqm h GLN 66 Ca 0.26 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.68 1rqm h GLN 66 Cb 0.08 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.77 1rqm h GLN 66 CO -0.13 0.01 0.00 0.34 -1.93 0.00 0.00 178.83 177.11 1rqm n PHE 67 N -4.23 0.73 -1.96 3.99 -0.00 -0.43 -4.98 117.46 110.58 1rqm n PHE 67 Ca -0.03 -0.67 -0.14 0.00 -0.00 0.00 0.00 57.45 56.61 1rqm n PHE 67 Cb 0.09 -0.17 -0.02 0.00 -0.00 0.00 0.00 39.48 39.38 1rqm n PHE 67 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1rqm n GLY 68 N 0.09 0.37 3.52 7.13 0.00 -0.58 -4.89 105.19 110.84 1rqm n GLY 68 Ca 0.17 -0.34 -0.37 0.00 0.00 0.00 0.00 46.02 45.47 1rqm n GLY 68 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1rqm n ILE 69 N -3.52 3.10 -0.41 -0.61 2.08 -0.02 -4.31 119.36 115.67 1rqm n ILE 69 Ca -0.15 -3.19 0.00 0.00 0.56 0.00 0.00 62.75 59.97 1rqm n ILE 69 Cb 0.56 -2.29 0.00 0.00 -0.75 0.00 0.00 39.64 37.16 1rqm n ILE 69 CO 0.00 0.00 0.00 0.80 0.56 0.00 0.00 176.55 177.91 1rqm n MET 70 N 8.19 0.21 -0.56 0.38 1.56 -1.26 -4.76 117.12 120.88 1rqm n MET 70 Ca 0.48 -0.56 -0.03 0.00 -0.27 0.00 0.00 57.70 57.32 1rqm n MET 70 Cb 0.46 -0.79 0.17 0.00 2.15 0.00 0.00 33.22 35.21 1rqm n MET 70 CO 0.00 0.00 0.00 0.45 -0.73 0.00 0.00 175.97 175.69 1rqm n SER 71 N -0.10 3.52 -4.71 6.12 2.88 -1.26 -5.01 113.62 115.06 1rqm n SER 71 Ca 0.00 -2.65 -0.39 0.00 -1.33 0.00 0.00 58.87 54.50 1rqm n SER 71 Cb 0.19 -0.63 0.03 0.00 -0.75 0.00 0.00 64.21 63.04 1rqm n SER 71 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 1rqm n ILE 72 N 0.06 3.26 -2.18 2.46 -0.00 -1.26 -3.92 119.36 117.77 1rqm n ILE 72 Ca 0.22 -0.50 -0.42 0.00 -0.00 0.00 0.00 62.75 62.05 1rqm n ILE 72 Cb 0.91 -1.57 -0.03 0.00 -0.00 0.00 0.00 39.64 38.96 1rqm n ILE 72 CO 0.00 0.00 0.00 -2.16 -0.00 0.00 0.00 176.55 174.39 1rqm s PRO 73 N -2.58 4.35 0.16 6.28 0.04 -1.26 -4.66 135.00 137.33 1rqm s PRO 73 Ca 0.67 2.08 0.10 0.00 0.04 0.00 0.00 61.00 63.89 1rqm s PRO 73 Cb -0.45 -3.22 -0.04 0.00 0.04 0.00 0.00 34.50 30.83 1rqm s PRO 73 CO 0.53 -0.35 -0.22 0.99 0.04 0.00 0.00 177.00 177.98 1rqm s THR 74 N 0.60 2.09 -0.25 1.26 2.01 -0.23 -0.55 115.64 120.58 1rqm s THR 74 Ca 0.61 -1.89 -0.03 0.00 0.31 0.00 0.00 61.69 60.69 1rqm s THR 74 Cb -0.37 -1.94 0.11 0.00 0.01 0.00 0.00 72.50 70.31 1rqm s THR 74 CO 0.35 -0.14 0.22 -0.22 -0.69 0.00 0.00 174.62 174.14 1rqm s LEU 75 N -2.47 0.01 -0.16 4.42 0.20 -0.25 -0.51 118.68 119.92 1rqm s LEU 75 Ca 0.16 -0.66 -0.07 0.00 0.69 0.00 0.00 54.13 54.25 1rqm s LEU 75 Cb -0.08 0.23 -0.04 0.00 -0.43 0.00 0.00 46.19 45.87 1rqm s LEU 75 CO 0.08 -0.37 0.09 -0.63 -0.29 0.00 0.00 176.35 175.22 1rqm s ILE 76 N 2.28 5.07 -0.43 6.68 1.01 -1.23 -0.31 121.20 134.26 1rqm s ILE 76 Ca 0.08 0.06 -0.18 0.00 0.00 0.00 0.00 60.65 60.61 1rqm s ILE 76 Cb -0.15 -3.26 0.02 0.00 0.01 0.00 0.00 42.46 39.08 1rqm s ILE 76 CO -0.24 0.50 0.49 -0.22 0.00 0.00 0.00 174.94 175.47 1rqm s LEU 77 N -0.07 4.81 0.20 2.97 0.20 0.28 -2.76 118.68 124.32 1rqm s LEU 77 Ca 0.08 -0.63 0.06 0.00 0.69 0.00 0.00 54.13 54.32 1rqm s LEU 77 Cb -0.12 -2.46 -0.04 0.00 -0.43 0.00 0.00 46.19 43.15 1rqm s LEU 77 CO 0.01 -0.64 0.18 -0.36 -0.29 0.00 0.00 176.35 175.25 1rqm s PHE 78 N 2.29 3.18 -0.08 5.38 0.40 0.25 -0.37 117.98 129.02 1rqm s PHE 78 Ca 0.14 -0.04 -0.19 0.00 -0.60 0.00 0.00 56.93 56.25 1rqm s PHE 78 Cb -0.17 -1.49 0.04 0.00 0.51 0.00 0.00 43.02 41.92 1rqm s PHE 78 CO 0.14 0.52 0.44 -1.59 0.70 0.00 0.00 175.22 175.43 1rqm s LYS 79 N -3.42 0.70 -1.21 0.44 -2.85 0.09 -0.53 119.74 112.97 1rqm s LYS 79 Ca 0.32 0.21 -0.12 0.00 -1.00 0.00 0.00 55.97 55.38 1rqm s LYS 79 Cb -0.09 0.32 0.11 0.00 -2.06 0.00 0.00 37.83 36.11 1rqm s LYS 79 CO 0.25 -0.17 0.43 0.41 0.10 0.00 0.00 175.35 176.37 1rqm n GLY 80 N 1.78 -0.46 0.48 0.59 0.00 -1.26 -0.57 105.19 105.75 1rqm n GLY 80 Ca -0.18 0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1rqm n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rqm n GLY 81 N -1.01 0.55 3.15 -0.02 0.00 -0.90 -4.72 105.19 102.23 1rqm n GLY 81 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 1rqm n GLY 81 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1rqm s GLU 82 N -0.84 2.43 -0.61 1.61 2.12 0.26 -4.92 118.70 118.75 1rqm s GLU 82 Ca 0.00 -0.69 -0.27 0.00 0.36 0.00 0.00 54.97 54.37 1rqm s GLU 82 Cb 0.00 -1.91 -0.00 0.00 0.26 0.00 0.00 34.13 32.48 1rqm s GLU 82 CO 0.00 0.15 1.63 -1.25 -0.54 0.00 0.00 175.26 175.24 1rqm s PRO 83 N 0.39 2.95 0.12 4.30 0.04 -1.26 -0.73 135.00 140.81 1rqm s PRO 83 Ca -0.15 0.43 -0.14 0.00 0.04 0.00 0.00 61.00 61.18 1rqm s PRO 83 Cb -0.16 -4.27 -0.04 0.00 0.04 0.00 0.00 34.50 30.07 1rqm s PRO 83 CO 0.06 -2.37 1.51 0.28 0.04 0.00 0.00 177.00 176.52 1rqm h VAL 84 N 6.57 1.28 -3.05 -0.36 2.07 -1.04 -3.47 116.25 118.25 1rqm h VAL 84 Ca -0.27 -1.26 0.05 0.00 0.82 0.00 0.00 66.70 66.04 1rqm h VAL 84 Cb 1.12 1.29 -0.06 0.00 -1.52 0.00 0.00 31.29 32.12 1rqm h VAL 84 CO 1.21 0.42 0.20 -1.59 0.02 0.00 0.00 177.57 177.83 1rqm s LYS 85 N -4.69 1.69 0.15 1.57 -2.85 -1.13 -5.04 119.74 109.45 1rqm s LYS 85 Ca -0.12 -0.93 0.01 0.00 -1.00 0.00 0.00 55.97 53.93 1rqm s LYS 85 Cb 0.10 0.60 -0.04 0.00 -2.06 0.00 0.00 37.83 36.42 1rqm s LYS 85 CO 0.82 -0.77 -0.01 1.14 0.10 0.00 0.00 175.35 176.64 1rqm s GLN 86 N -3.90 1.02 0.10 1.78 0.00 -1.26 -0.56 119.66 116.84 1rqm s GLN 86 Ca 0.10 -1.47 0.09 0.00 -0.00 0.00 0.00 55.36 54.08 1rqm s GLN 86 Cb -0.05 -0.19 -0.04 0.00 0.00 0.00 0.00 33.01 32.74 1rqm s GLN 86 CO 0.04 -0.12 -0.22 -0.51 0.00 0.00 0.00 175.29 174.48 1rqm s LEU 87 N -3.13 2.50 0.00 2.60 2.01 0.58 -4.99 118.68 118.25 1rqm s LEU 87 Ca 0.21 -0.60 0.00 0.00 0.01 0.00 0.00 54.13 53.76 1rqm s LEU 87 Cb 0.06 -1.41 -0.00 0.00 0.01 0.00 0.00 46.19 44.85 1rqm s LEU 87 CO 0.02 0.20 -0.01 0.27 1.01 0.00 0.00 176.35 177.84 1rqm s ILE 88 N -1.03 0.05 0.17 -0.59 -4.36 -1.26 -1.09 121.20 113.08 1rqm s ILE 88 Ca 0.15 -0.05 0.00 0.00 -0.26 0.00 0.00 60.65 60.49 1rqm s ILE 88 Cb -0.10 -0.05 0.00 0.00 1.25 0.00 0.00 42.46 43.55 1rqm s ILE 88 CO 0.07 -0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.86 1rqm n GLY 89 N 3.03 -2.72 3.55 6.27 0.00 0.29 -4.82 105.19 110.79 1rqm n GLY 89 Ca -0.12 -1.35 -0.36 0.00 0.00 0.00 0.00 46.02 44.19 1rqm n GLY 89 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1rqm s TYR 90 N -3.20 1.48 0.02 1.61 5.04 -1.26 -4.88 117.35 116.16 1rqm s TYR 90 Ca 0.00 1.04 -0.15 0.00 -2.44 0.00 0.00 57.07 55.53 1rqm s TYR 90 Cb 0.00 -3.92 -0.06 0.00 0.35 0.00 0.00 41.96 38.33 1rqm s TYR 90 CO 0.00 -2.30 0.42 -0.65 -1.34 0.00 0.00 175.55 171.68 1rqm s GLN 91 N 7.46 3.92 0.82 4.97 -1.52 -1.26 -5.11 119.66 128.94 1rqm s GLN 91 Ca 0.77 0.42 -0.11 0.00 -1.95 0.00 0.00 55.36 54.48 1rqm s GLN 91 Cb -0.13 -3.19 0.08 0.00 -0.22 0.00 0.00 33.01 29.55 1rqm s GLN 91 CO 0.20 0.67 1.09 -1.25 -0.25 0.00 0.00 175.29 175.75 1rqm s PRO 92 N -1.18 1.91 0.20 2.91 0.04 -1.26 -4.75 135.00 132.87 1rqm s PRO 92 Ca 0.25 0.83 -0.10 0.00 0.04 0.00 0.00 61.00 62.03 1rqm s PRO 92 Cb -0.17 -1.88 0.27 0.00 0.04 0.00 0.00 34.50 32.76 1rqm s PRO 92 CO 0.14 -1.79 1.74 0.87 0.04 0.00 0.00 177.00 178.00 1rqm h LYS 93 N -1.22 0.36 -0.84 4.56 6.56 -1.98 -0.58 116.57 123.43 1rqm h LYS 93 Ca -0.47 -0.02 0.18 0.00 -1.06 0.00 0.00 60.65 59.28 1rqm h LYS 93 Cb 1.26 -0.08 -0.11 0.00 -0.57 0.00 0.00 32.23 32.73 1rqm h LYS 93 CO 0.56 0.24 0.36 1.49 -2.06 0.00 0.00 179.45 180.03 1rqm h GLU 94 N 0.37 0.42 0.11 3.15 4.22 -1.98 0.22 114.58 121.10 1rqm h GLU 94 Ca 0.30 -0.03 -0.32 0.00 0.08 0.00 0.00 59.36 59.39 1rqm h GLU 94 Cb 0.38 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 1rqm h GLU 94 CO -0.31 0.28 -1.69 0.37 -2.18 0.00 0.00 179.01 175.48 1rqm h GLN 95 N 0.44 0.24 0.68 1.92 5.75 -1.55 -1.32 115.11 121.26 1rqm h GLN 95 Ca 0.49 -0.40 -0.03 0.00 -0.15 0.00 0.00 58.65 58.56 1rqm h GLN 95 Cb 0.85 0.15 0.00 0.00 1.07 0.00 0.00 27.48 29.55 1rqm h GLN 95 CO -0.47 1.19 -0.37 1.25 -2.65 0.00 0.00 178.83 177.78 1rqm h LEU 96 N -0.20 -0.92 -1.19 -2.39 6.46 -1.07 0.99 115.31 116.99 1rqm h LEU 96 Ca -0.37 0.04 0.07 0.00 -0.12 0.00 0.00 57.88 57.50 1rqm h LEU 96 Cb 1.85 0.26 -0.06 0.00 -0.73 0.00 0.00 40.66 41.98 1rqm h LEU 96 CO 0.05 -0.60 0.57 -0.08 -0.62 0.00 0.00 178.44 177.75 1rqm h GLU 97 N -0.97 0.94 -0.21 1.25 4.22 -0.69 0.42 114.58 119.53 1rqm h GLU 97 Ca -0.09 -0.06 -0.01 0.00 0.08 0.00 0.00 59.36 59.28 1rqm h GLU 97 Cb 0.76 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 1rqm h GLU 97 CO 0.12 0.62 0.08 0.00 -2.18 0.00 0.00 179.01 177.65 1rqm h ALA 98 N 1.53 0.28 0.00 2.92 0.00 -1.08 0.30 119.26 123.21 1rqm h ALA 98 Ca 0.38 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1rqm h ALA 98 Cb 0.23 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1rqm h ALA 98 CO -0.14 -0.12 -0.07 0.37 0.00 0.00 0.00 179.25 179.30 1rqm h GLN 99 N 0.18 0.00 -0.01 0.00 5.75 0.07 -2.74 115.11 118.36 1rqm h GLN 99 Ca 0.07 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.57 1rqm h GLN 99 Cb 0.20 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.75 1rqm h GLN 99 CO -0.00 0.07 -0.68 -0.11 -2.65 0.00 0.00 178.83 175.45 1rqm n LEU 100 N -3.28 1.46 0.20 -2.39 7.94 0.06 -4.69 117.00 116.29 1rqm n LEU 100 Ca -0.01 -0.58 0.12 0.00 -1.11 0.00 0.00 56.01 54.43 1rqm n LEU 100 Cb 0.26 -0.02 0.68 0.00 0.53 0.00 0.00 43.42 44.87 1rqm n LEU 100 CO 0.27 0.30 1.10 0.00 -1.11 0.00 0.00 177.39 177.96 1rqm h ALA 101 N 3.46 2.07 0.00 1.96 0.00 -0.10 0.24 119.26 126.88 1rqm h ALA 101 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1rqm h ALA 101 Cb 0.62 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1rqm h ALA 101 CO 0.00 -0.15 0.00 -0.40 0.00 0.00 0.00 179.25 178.70 1rqm n ASP 102 N -4.42 0.00 0.00 0.00 5.75 -1.26 -0.06 116.55 116.55 1rqm n ASP 102 Ca -0.00 0.20 0.00 0.00 -0.01 0.00 0.00 54.79 54.98 1rqm n ASP 102 Cb 0.21 -0.28 0.00 0.00 -1.03 0.00 0.00 41.12 40.02 1rqm n ASP 102 CO 0.00 0.00 0.00 0.55 -0.11 0.00 0.00 177.20 177.64 1rqm n VAL 103 N -1.28 0.00 0.52 2.12 3.14 0.06 -4.72 118.33 118.18 1rqm n VAL 103 Ca 0.03 -0.42 0.07 0.00 -2.96 0.00 0.00 64.34 61.06 1rqm n VAL 103 Cb 0.04 1.15 -0.09 0.00 -1.06 0.00 0.00 33.84 33.88 1rqm n VAL 103 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 1rqm n LEU 104 N -0.09 0.52 0.00 6.55 7.99 -0.41 -4.92 117.00 126.65 1rqm n LEU 104 Ca 0.00 -0.37 0.00 0.00 -0.01 0.00 0.00 56.01 55.63 1rqm n LEU 104 Cb 0.04 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.35 1rqm n LEU 104 CO 0.00 0.13 0.11 1.67 -1.51 0.00 0.00 177.39 177.79